N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide

C27H29N5O — CID 171544164

About N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide

N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 171544164) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide
• PubChem CID: 171544164
• Molecular Formula: C27H29N5O
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.24
• IUPAC Name: N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide
• SMILES: CN(C)c1ccc(NC(=O)N2CCCC(c3nc(-c4ccccc4)c4ccccn34)C2)cc1
• InChI: InChI=1S/C27H29N5O/c1-30(2)23-15-13-22(14-16-23)28-27(33)31-17-8-11-21(19-31)26-29-25(20-9-4-3-5-10-20)24-12-6-7-18-32(24)26/h3-7,9-10,12-16,18,21H,8,11,17,19H2,1-2H3,(H,28,33)
• InChIKey: HJWAKABLVIJSLZ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 52.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide?

The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide (CID 171544164) is N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide is CN(C)c1ccc(NC(=O)N2CCCC(c3nc(-c4ccccc4)c4ccccn34)C2)cc1.

What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide?

The InChIKey is HJWAKABLVIJSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-30(2)23-15-13-22(14-16-23)28-27(33)31-17-8-11-21(19-31)26-29-25(20-9-4-3-5-10-20)24-12-6-7-18-32(24)26/h3-7,9-10,12-16,18,21H,8,11,17,19H2,1-2H3,(H,28,33).

What are the key properties of N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide?

N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 171544164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).